Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7040638
Preview
Coordinates | 7040638.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C51 H74 O Th |
---|---|
Calculated formula | C51 H74 O Th |
SMILES | [c]12([c]3([cH]4[c]5([cH]1[Th]167892345([c]2([c]1([cH]6[c]7([cH]82)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(=C(C(C)(C)O9)c1ccccc1)c1ccccc1)C(C)(C)C)C(C)(C)C)C(C)(C)C |
Title of publication | Intrinsic reactivity of a uranium metallacyclopropene toward unsaturated organic molecules. |
Authors of publication | Zhang, Lei; Fang, Bo; Hou, Guohua; Ai, Lin; Ding, Wanjian; Walter, Marc D.; Zi, Guofu |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 41 |
Pages of publication | 16441 - 16452 |
a | 10.578 ± 0.008 Å |
b | 11.855 ± 0.008 Å |
c | 20.884 ± 0.015 Å |
α | 77.729 ± 0.012° |
β | 82.302 ± 0.013° |
γ | 68.237 ± 0.011° |
Cell volume | 2372 ± 3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0989 |
Residual factor for significantly intense reflections | 0.0872 |
Weighted residual factors for significantly intense reflections | 0.2237 |
Weighted residual factors for all reflections included in the refinement | 0.2411 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7040638.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.